COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.891   1.159   1.573  1.00  0.00           N  
HETATM    2  N   UNL     1       5.417  -3.604   3.818  1.00  0.00           N  
HETATM    3  C   UNL     1       2.183  -0.049   2.169  1.00  0.00           C  
HETATM    4  C   UNL     1       3.582  -0.162   2.163  1.00  0.00           C  
HETATM    5  C   UNL     1       4.191  -1.294   2.707  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.173  -2.473   3.497  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.039  -1.285   2.891  1.00  0.00           C  
HETATM    8  C   UNL     1       4.073  -3.503   3.827  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.173  -5.778  -0.284  1.00  0.00           N  
HETATM   10  C   UNL     1       4.581   4.810  -0.231  1.00  0.00           C  
HETATM   11  C   UNL     1       4.201   6.825  -1.059  1.00  0.00           C  
HETATM   12  C   UNL     1       7.634   4.312  -1.513  1.00  0.00           C  
HETATM   13  C   UNL     1       0.042   1.275   0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.111   0.660  -0.087  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.623   0.218  -1.434  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.936  -3.185  -1.160  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.993  -4.050  -0.877  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.402  -2.147  -0.376  1.00  0.00           C  
HETATM   19  C   UNL     1       3.420  -2.312   3.255  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.487  -3.108   3.874  1.00  0.00           C  
HETATM   21  C   UNL     1       4.434   3.454   0.321  1.00  0.00           C  
HETATM   22  C   UNL     1       3.562   5.670  -0.604  1.00  0.00           C  
HETATM   23  C   UNL     1       7.091   4.941  -0.228  1.00  0.00           C  
HETATM   24  C   UNL     1       3.524   8.068  -1.578  1.00  0.00           C  
HETATM   25  C   UNL     1       0.554   1.717   1.352  1.00  0.00           C  
HETATM   26  C   UNL     1       2.016  -2.208   3.266  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.052  -2.229  -1.696  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.125  -1.797  -1.053  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.223  -3.531  -0.486  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.361  -1.287  -0.661  1.00  0.00           C  
HETATM   31  C   UNL     1       1.403  -1.074   2.720  1.00  0.00           C  
HETATM   32  C   UNL     1       1.031  -3.133  -2.358  1.00  0.00           C  
HETATM   33  C   UNL     1       2.460  -2.959  -2.662  1.00  0.00           C  
HETATM   34  C   UNL     1       3.138  -1.761  -2.810  1.00  0.00           C  
HETATM   35  C   UNL     1       4.459  -2.117  -3.090  1.00  0.00           C  
HETATM   36  C   UNL     1       5.601  -1.164  -3.336  1.00  0.00           C  
HETATM   37  C   UNL     1       3.111  -5.385  -2.779  1.00  0.00           C  
HETATM   38  C   UNL     1       2.828  -5.919  -4.184  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.830   0.509  -0.140  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.839   2.037  -0.076  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.222   2.521   0.367  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.343  -4.444  -0.179  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.456   4.483   1.072  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.397   6.009   1.168  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.030   6.099  -0.797  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.076   4.573  -0.913  1.00  0.00           C  
HETATM   47  C   UNL     1       3.077   1.743   1.232  1.00  0.00           C  
HETATM   48  N   UNL     1       4.530  -3.423  -3.101  1.00  0.00           N  
HETATM   49  N   UNL     1       3.385  -3.947  -2.849  1.00  0.00           N  
HETATM   50  N   UNL     1      -7.230   3.989   0.427  1.00  0.00           N  
HETATM   51  N   UNL     1       4.070   0.964   1.574  1.00  0.00           N  
HETATM   52  N   UNL     1       3.209   2.974   0.612  1.00  0.00           N  
HETATM   53  N   UNL     1       5.492   6.638  -0.953  1.00  0.00           N  
HETATM   54  N   UNL     1       5.749   5.474  -0.475  1.00  0.00           N  
HETATM   55  N   UNL     1      -1.918  -1.217  -1.397  1.00  0.00           N  
HETATM   56  N   UNL     1      -1.651  -3.384  -1.556  1.00  0.00           N  
HETATM   57  N   UNL     1       0.264  -2.059  -2.087  1.00  0.00           N  
HETATM   58  O   UNL     1       1.037  -3.016   3.717  1.00  0.00           O  
HETATM   59  O   UNL     1       3.400  -4.395   4.307  1.00  0.00           O  
HETATM   60  O   UNL     1       5.419   2.767   0.516  1.00  0.00           O  
HETATM   61  O   UNL     1       0.542  -4.247  -2.350  1.00  0.00           O  
HETATM   62  O   UNL     1      -4.539   0.057  -0.553  1.00  0.00           O  
HETATM   63  O   UNL     1      -7.417  -3.994   0.169  1.00  0.00           O  
HETATM   64  O   UNL     1      -8.215   6.557  -0.140  1.00  0.00           O  
HETATM   65  H   UNL     1       5.954  -2.893   3.435  1.00  0.00           H  
HETATM   66  H   UNL     1       5.847  -4.388   4.194  1.00  0.00           H  
HETATM   67  H   UNL     1       5.268  -1.379   2.702  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.833  -0.618   2.589  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.316  -6.137  -0.561  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.908  -6.377  -0.082  1.00  0.00           H  
HETATM   71  H   UNL     1       6.974   3.504  -1.829  1.00  0.00           H  
HETATM   72  H   UNL     1       7.682   5.069  -2.295  1.00  0.00           H  
HETATM   73  H   UNL     1       8.632   3.915  -1.329  1.00  0.00           H  
HETATM   74  H   UNL     1       0.625   1.465  -0.883  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.694   0.470   0.802  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.532   0.769  -1.676  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.866   0.414  -2.193  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.857  -5.118  -0.962  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.359  -1.750  -0.072  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.844  -3.724   3.049  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.349  -3.730   4.759  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.218  -2.329   4.089  1.00  0.00           H  
HETATM   83  H   UNL     1       2.499   5.486  -0.554  1.00  0.00           H  
HETATM   84  H   UNL     1       7.043   4.184   0.555  1.00  0.00           H  
HETATM   85  H   UNL     1       7.751   5.749   0.088  1.00  0.00           H  
HETATM   86  H   UNL     1       3.340   8.754  -0.751  1.00  0.00           H  
HETATM   87  H   UNL     1       4.167   8.551  -2.314  1.00  0.00           H  
HETATM   88  H   UNL     1       2.577   7.797  -2.044  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.120   1.363   2.131  1.00  0.00           H  
HETATM   90  H   UNL     1       0.605   2.805   1.382  1.00  0.00           H  
HETATM   91  H   UNL     1       2.731  -0.764  -2.728  1.00  0.00           H  
HETATM   92  H   UNL     1       6.090  -0.931  -2.391  1.00  0.00           H  
HETATM   93  H   UNL     1       6.320  -1.626  -4.013  1.00  0.00           H  
HETATM   94  H   UNL     1       5.219  -0.247  -3.784  1.00  0.00           H  
HETATM   95  H   UNL     1       2.243  -5.558  -2.142  1.00  0.00           H  
HETATM   96  H   UNL     1       3.976  -5.899  -2.361  1.00  0.00           H  
HETATM   97  H   UNL     1       3.695  -5.745  -4.820  1.00  0.00           H  
HETATM   98  H   UNL     1       2.624  -6.989  -4.132  1.00  0.00           H  
HETATM   99  H   UNL     1       1.962  -5.404  -4.601  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.059   0.103   0.846  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.580   0.170  -0.855  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.090   2.376   0.639  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.611   2.443  -1.062  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.971   2.183  -0.349  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.450   2.116   1.352  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.537   4.058   2.073  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.323   4.188   0.480  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.328   6.384   1.593  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.561   6.302   1.804  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.155   6.394  -0.218  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.972   6.538  -1.793  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.920   4.280  -1.537  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.150   4.214  -1.362  1.00  0.00           H  
HETATM  114  H   UNL     1       2.419   3.491   0.387  1.00  0.00           H  
HETATM  115  H   UNL     1       0.635  -1.166  -2.167  1.00  0.00           H  
CONECT    1    3   25   47                                            
CONECT    2    8   65   66                                            
CONECT    3   31   31    4    1                                       
CONECT    4    5    5    3   51                                       
CONECT    5   19    4    4   67                                       
CONECT    6   20   58    7    7                                       
CONECT    7    6    6   31   68                                       
CONECT    8   59   59    2   19                                       
CONECT    9   42   69   70                                            
CONECT   10   21   54   22   22                                       
CONECT   11   22   53   53   24                                       
CONECT   12   23   71   72   73                                       
CONECT   13   25   14   14   74                                       
CONECT   14   13   13   15   75                                       
CONECT   15   55   14   76   77                                       
CONECT   16   17   17   28   56                                       
CONECT   17   29   16   16   78                                       
CONECT   18   29   29   30   79                                       
CONECT   19    8   26   26    5                                       
CONECT   20    6   80   81   82                                       
CONECT   21   52   60   60   10                                       
CONECT   22   10   10   11   83                                       
CONECT   23   12   54   84   85                                       
CONECT   24   11   86   87   88                                       
CONECT   25   13    1   89   90                                       
CONECT   26   58   19   19   31                                       
CONECT   27   55   56   56   57                                       
CONECT   28   30   30   16   55                                       
CONECT   29   42   18   18   17                                       
CONECT   30   18   62   28   28                                       
CONECT   31   26    7    3    3                                       
CONECT   32   57   61   61   33                                       
CONECT   33   32   49   34   34                                       
CONECT   34   33   33   35   91                                       
CONECT   35   34   48   48   36                                       
CONECT   36   35   92   93   94                                       
CONECT   37   38   49   95   96                                       
CONECT   38   37   97   98   99                                       
CONECT   39   40   62  100  101                                       
CONECT   40   39   41  102  103                                       
CONECT   41   50   40  104  105                                       
CONECT   42   63   63    9   29                                       
CONECT   43   50   44  106  107                                       
CONECT   44   43   64  108  109                                       
CONECT   45   46   64  110  111                                       
CONECT   46   50   45  112  113                                       
CONECT   47    1   51   51   52                                       
CONECT   48   49   35   35                                            
CONECT   49   33   37   48                                            
CONECT   50   43   46   41                                            
CONECT   51    4   47   47                                            
CONECT   52   47   21  114                                            
CONECT   53   54   11   11                                            
CONECT   54   23   10   53                                            
CONECT   55   28   15   27                                            
CONECT   56   16   27   27                                            
CONECT   57   27   32  115                                            
CONECT   58    6   26                                                 
CONECT   59    8    8                                                 
CONECT   60   21   21                                                 
CONECT   61   32   32                                                 
CONECT   62   39   30                                                 
CONECT   63   42   42                                                 
CONECT   64   44   45                                                 
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    5                                                      
CONECT   68    7                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   34                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   43                                                      
CONECT  107   43                                                      
CONECT  108   44                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   45                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   52                                                      
CONECT  115   57                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
